SCHEMBL3495677

SCHEMBL3495677

COc1ccc(CSc2ccc(F)cc2C(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MMP13 P45452 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ABL1 P00519 1/20 0.44
SRC P12931 1/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DAO P14920 1/20 0.42
FFAR1 O14842 1/20 0.41
PIK3CD O00329 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11817237 0.90 FFAR1 (0.47) LMNAMAPTMEN1KMT2AABL1
SCHEMBL17080132 0.88 LMNA (0.48) LMNAMAPTMEN1KMT2AABL1
SCHEMBL30786201 0.88 LMNA (0.48) LMNAMAPTMEN1KMT2AABL1
SCHEMBL3494157 0.84 IDO1 (0.46) LMNAMMP13MAPTMEN1KMT2A
SCHEMBL30786144 0.82 FFAR1 (0.47) LMNAMAPTMEN1KMT2AABL1
SCHEMBL11826469 0.82 FFAR1 (0.47) LMNAMAPTMEN1KMT2AABL1
SCHEMBL30786181 0.81 MAPT (0.46) LMNAMAPTMEN1KMT2AABL1
SCHEMBL17080153 0.81 MAPT (0.46) LMNAMAPTMEN1KMT2AABL1
SCHEMBL24898064 0.81 MAOB (0.43) LMNAMMP13MAPTABL1SRC
SCHEMBL17080148 0.77 KDM4E (0.56) LMNAMAOBMAOASMN1; SMN2DAO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B LMNA 1642/4885MMP13 2213/4885MAPT 3905/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.